[(calix[4]OMe)TaCl2]*C7H8 | 221279-67-0

• 英文名称: [(calix[4]OMe)TaCl2]*C7H8
• CAS: 221279-67-0
• 化学式: C₇H₈*C₄₅H₅₅Cl₂O₄Ta
• 分子量: 1003.92
• InChiKey: HJSFRZGLCDVLLO-UHFFFAOYSA-I

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  [(calix[4]OMe)TaCl2]*C7H8 、 甲基锂 以 四氢呋喃 、 1,4-二氧六环 、 甲苯 为溶剂， 生成 [(calix[4]OMe)TaMe₂]
  参考文献：
  名称：

  Metal−Carbon and Carbon−Oxygen Related Reactivity in Tantalum p-tert-Butylcalix[4]arene Complexes Undergoing Organic Functionalization

  摘要：

  [(Calix[4]OMe)TaCl2] (2), formed from [calix[4](OMe)(2)] (1) and TaCl5 via a demethylation reaction, undergoes exhaustive alkylation to [(calix[4]OMe)TaR(2)] (3-5), which give photochemically or thermally induced concerted dealkylation at the metal and at the methoxy group, to give [calix[4]TaR] (6-8). Double migration air alkyl groups has been observed in the reaction of 3-5 with CO and Bu(t)NC to form the corresponding eta(2)-ketones [(calix[4]OMe)Ta(eta(2)-COR(2))] (9-11) and eta(2)-imines [(calix[4]OMe)Ta{eta(2)-N(Bu(t))CR(2)}] (12-14).

  DOI：

  10.1021/om960666v
• 作为产物：
  描述：

  1,3-二甲氧基-4-叔丁基杯芳烃 、 五氯化钽 以 甲苯 为溶剂， 以74%的产率得到[(calix[4]OMe)TaCl2]*C7H8
  参考文献：
  名称：

  Metal−Carbon and Carbon−Oxygen Related Reactivity in Tantalum p-tert-Butylcalix[4]arene Complexes Undergoing Organic Functionalization

  摘要：

  [(Calix[4]OMe)TaCl2] (2), formed from [calix[4](OMe)(2)] (1) and TaCl5 via a demethylation reaction, undergoes exhaustive alkylation to [(calix[4]OMe)TaR(2)] (3-5), which give photochemically or thermally induced concerted dealkylation at the metal and at the methoxy group, to give [calix[4]TaR] (6-8). Double migration air alkyl groups has been observed in the reaction of 3-5 with CO and Bu(t)NC to form the corresponding eta(2)-ketones [(calix[4]OMe)Ta(eta(2)-COR(2))] (9-11) and eta(2)-imines [(calix[4]OMe)Ta{eta(2)-N(Bu(t))CR(2)}] (12-14).

  DOI：

  10.1021/om960666v